Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | ADK | P55263 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6002606 | 0.78 | ADRA2A (0.52) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL8535895 | 0.74 | NISCH (0.49) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL722191 | 0.74 | NISCH (0.78) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL27712534 | 0.73 | NISCH (0.55) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL482165 | 0.73 | NISCH (0.64) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL7896869 | 0.73 | TSHR (0.48) | ALDH1A1PARP1CYP1A2CYP3A4KMT2A | |
| SCHEMBL183153 | 0.73 | NISCH (0.64) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL28067584 | 0.72 | GUSB (0.46) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL862114 | 0.72 | NISCH (0.75) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL28829249 | 0.71 | NISCH (0.43) | NISCHMTORADKKDM4EALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0857171-A2 | IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-08-12 | — | — | EP | disclosed |
| WO-1997015555-A2 | IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-05-01 | — | — | WO | disclosed |